((17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)acetic acid

Base Information

• Chemical Name: ((17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)acetic acid
• CAS No.: 114223-07-3
• Molecular Formula: C23H30 O6 S
• Molecular Weight: 434.5457
• Wikidata: Q76423504
• Mol file: 114223-07-3.mol

Synonyms:BRN 3598546;114223-07-3;((17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)acetic acid;Acetic acid, ((17-hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)-;(17-alpha-Hydroxy-4-pregnene-3,11,20-trione-21-yl-21-thio)acetic acid

Chemical Property of ((17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio)acetic acid

Chemical Property:

• Vapor Pressure: 1.56E-19mmHg at 25°C
• Boiling Point: 648°Cat760mmHg
• Flash Point: 345.7°C
• Density: 1.34g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 434.17630985
• Heavy Atom Count: 30
• Complexity: 849

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CSCC(=O)O)O)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CSCC(=O)O)O)C